bis(N-ethylethanamine);hydrogen peroxide

C8H24N2O2 — CID 87070576

IUPACbis(N-ethylethanamine);hydrogen peroxide
SMILESCCNCC.CCNCC.OO
InChIInChI=1S/2C4H11N.H2O2/c2*1-3-5-4-2;1-2/h2*5H,3-4H2,1-2H3;1-2H
InChIKeyPAEJFDKOKWHISB-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.25
Rot. Bonds4

About bis(N-ethylethanamine);hydrogen peroxide

bis(N-ethylethanamine);hydrogen peroxide (PubChem CID 87070576) has the molecular formula C8H24N2O2 and a molecular weight of 180.29 g/mol. Its IUPAC name is bis(N-ethylethanamine);hydrogen peroxide.

Molecular Properties

Compound Namebis(N-ethylethanamine);hydrogen peroxide
PubChem CID87070576
Molecular FormulaC8H24N2O2
Molecular Weight180.29 g/mol
Exact Mass180.18
IUPAC Namebis(N-ethylethanamine);hydrogen peroxide
SMILESCCNCC.CCNCC.OO
InChIInChI=1S/2C4H11N.H2O2/c2*1-3-5-4-2;1-2/h2*5H,3-4H2,1-2H3;1-2H
InChIKeyPAEJFDKOKWHISB-UHFFFAOYSA-N
XLogP1.25
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(N-ethylethanamine);hydrogen peroxide?
The IUPAC name of bis(N-ethylethanamine);hydrogen peroxide (CID 87070576) is bis(N-ethylethanamine);hydrogen peroxide.
What is the SMILES notation for bis(N-ethylethanamine);hydrogen peroxide?
The canonical SMILES for bis(N-ethylethanamine);hydrogen peroxide is CCNCC.CCNCC.OO.
What is the InChIKey of bis(N-ethylethanamine);hydrogen peroxide?
The InChIKey is PAEJFDKOKWHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11N.H2O2/c2*1-3-5-4-2;1-2/h2*5H,3-4H2,1-2H3;1-2H.
What are the key properties of bis(N-ethylethanamine);hydrogen peroxide?
bis(N-ethylethanamine);hydrogen peroxide has a molecular weight of 180.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-ethylethanamine);hydrogen peroxide is sourced from PubChem (CID 87070576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).